IFLAB-ZINC04120677 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8100 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.3270 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -3.6940 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5480 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -4.0360 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.6690 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -6.0400 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -6.5240 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -5.7360 -0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -7.8330 -1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -8.4450 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -9.9400 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -10.0070 -1.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -8.8290 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -8.5230 -2.6300 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -10.2060 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -10.1900 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -10.0130 -5.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -9.9980 -5.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -10.1610 -5.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -10.3390 -3.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -10.3580 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -10.5130 -3.0900 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0500 -10.4990 -3.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 -10.6700 -1.8830 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.6600 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -4.0970 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -4.7040 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -2.2690 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -6.5310 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -6.2770 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 -8.0400 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 -8.2960 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -10.2790 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -10.5340 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -10.5920 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -10.8450 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -9.8860 -5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -9.8590 -6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -10.1490 -5.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -10.5010 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END